Libgridxc

Version:

0.9.6

A library to compute the exchange and correlation energy and potential in spherical (i.e. an atom)

or periodic systems. It is based on SiestaXC.

Target user:

all

Official web site:

Support level:

low

Related Commands:

Before using the library, you have to load it:

module load profile/chem-phys
module load autoload libgridxc

Help and documentation:

More detailed instructions on how to link the library to you code are in the help of the module

module help libgridxc

CINECA consultants can be reached through the addr: superc@cineca.it

Deadline:

12/02/2024

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